SCHEMBL6308396

SCHEMBL6308396

O=C(OCc1ccc(Cl)c(Cl)c1)C(CSc1ccccn1)C(O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP51A1 Q16850 2/20 0.41
NPC1 O15118 6/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 6/20 0.38
OPRK1 P41145 1/20 0.36
SCD O00767 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
AGTR1 P30556 1/20 0.35
KCNA5 P22460 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6508441 0.91 MEN1 (0.46) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL6310041 0.84 LMNA (0.38) KMT2AMAPTALDH1A1LMNANPC1
SCHEMBL3075097 0.84 MEN1 (0.40) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL3066645 0.83 KCNA5 (0.43) NPSR1MAPTKCNA5
SCHEMBL6309522 0.80 MAPT (0.38) NPSR1MEN1KMT2AMAPTALDH1A1
SCHEMBL6511048 0.78 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3069248 0.75 CNR2 (0.37) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6308945 0.75 LMNA (0.40) KMT2AALDH1A1LMNANPC1RAB9A
SCHEMBL3076912 0.73 FFAR1 (0.43) KMT2AALDH1A1LMNAKCNA5
SCHEMBL3069083 0.73 KCNA5 (0.44) MAPTALDH1A1KCNA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR NPSR1 3272/4885MEN1 1608/4885KMT2A 1213/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.